2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene

C18H10F6O — CID 23565864

IUPAC2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene
SMILESCc1ccc2c(F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C18H10F6O/c1-9-2-4-12-10(6-9)3-5-13(16(12)21)11-7-14(19)17(15(20)8-11)25-18(22,23)24/h2-8H,1H3
InChIKeyDQZMQKOWZGZVJJ-UHFFFAOYSA-N
MW356.27 g/mol
LogP6.13
Rot. Bonds2

About 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene (PubChem CID 23565864) has the molecular formula C18H10F6O and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene
PubChem CID23565864
Molecular FormulaC18H10F6O
Molecular Weight356.27 g/mol
Exact Mass356.06
IUPAC Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene
SMILESCc1ccc2c(F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1
InChIInChI=1S/C18H10F6O/c1-9-2-4-12-10(6-9)3-5-13(16(12)21)11-7-14(19)17(15(20)8-11)25-18(22,23)24/h2-8H,1H3
InChIKeyDQZMQKOWZGZVJJ-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
CID 23565854
1,3-difluoro-4-(4-methylphenyl)-2-(trifluoromethoxy)benzene
CID 155471458
6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468735
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-(4-ethoxy-2-fluorophenyl)-1-fluoronaphthalene
CID 139873746
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702
1,2-difluoro-6-(4-methylphenyl)naphthalene
CID 70883391
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139850801
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
2,7-dimethylphenanthrene;ethane
CID 91503011
6-[[2,3-difluoro-4-[4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 118900750
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826
5-[4-[4-[4-(1,2-difluoroprop-1-enyl)phenyl]phenyl]-2-fluorophenyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 123815222

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene (CID 23565864) is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene is Cc1ccc2c(F)c(-c3cc(F)c(OC(F)(F)F)c(F)c3)ccc2c1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene?
The InChIKey is DQZMQKOWZGZVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6O/c1-9-2-4-12-10(6-9)3-5-13(16(12)21)11-7-14(19)17(15(20)8-11)25-18(22,23)24/h2-8H,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene?
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene has a molecular weight of 356.27 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-6-methylnaphthalene is sourced from PubChem (CID 23565864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).